> Alkaloids and derivatives
|
Arecaidine
|
10355 |
Click to see
CN1CCC=C(C1)C(=O)O
|
141.17 |
unknown |
https://doi.org/10.1007/BF01920724 https://doi.org/10.1111/J.1750-3841.2012.02653.X https://doi.org/10.1021/JF960547Q |
Arecoline
|
2230 |
Click to see
CN1CCC=C(C1)C(=O)OC
|
155.19 |
unknown |
https://doi.org/10.1074/JBC.M404465200 https://doi.org/10.1002/JSFA.6081 https://doi.org/10.1016/S0031-9422(98)00016-8 https://doi.org/10.1111/J.1601-0825.2010.01680.X https://doi.org/10.1021/JF960547Q https://doi.org/10.1007/BF01920724 |
Ethyl 1-methyl-1,2,5,6-tetrahydropyridine-3-carboxylate
|
34167 |
Click to see
CCOC(=O)C1=CCCN(C1)C
|
169.22 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00016-8 |
Guvacine
|
3532 |
Click to see
C1CNCC(=C1)C(=O)O
|
127.14 |
unknown |
https://doi.org/10.1111/J.1750-3841.2012.02653.X https://doi.org/10.1007/BF01920724 https://doi.org/10.1021/JF960547Q |
Guvacoline
|
160492 |
Click to see
COC(=O)C1=CCCNC1
|
141.17 |
unknown |
https://doi.org/10.1007/BF01920724 https://doi.org/10.1021/JF960547Q https://doi.org/10.1016/S0031-9422(98)00016-8 |
> Alkaloids and derivatives / Harmala alkaloids
|
Harmalan
|
160510 |
Click to see
CC1=NCCC2=C1NC3=CC=CC=C23
|
184.24 |
unknown |
https://doi.org/10.1002/(SICI)1099-1565(199909/10)10:5<247::AID-PCA465>3.0.CO;2-9 |
Harman
|
5281404 |
Click to see
CC1=NC=CC2=C1NC3=CC=CC=C23
|
182.22 |
unknown |
https://doi.org/10.1248/CPB.47.440 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Long-chain fatty acids
|
Myristic Acid
|
11005 |
Click to see
CCCCCCCCCCCCCC(=O)O
|
228.37 |
unknown |
https://doi.org/10.1002/PTR.2650030406 https://doi.org/10.1248/CPB.35.2880 |
Nonadec-2-enoic acid
|
53925385 |
Click to see
CCCCCCCCCCCCCCCCC=CC(=O)O
|
296.50 |
unknown |
https://doi.org/10.1002/PTR.2650030406 |
Oleic Acid
|
445639 |
Click to see
CCCCCCCCC=CCCCCCCCC(=O)O
|
282.50 |
unknown |
https://doi.org/10.1002/PTR.2650030406 https://doi.org/10.1248/CPB.35.2880 |
Palmitic Acid
|
985 |
Click to see
CCCCCCCCCCCCCCCC(=O)O
|
256.42 |
unknown |
https://doi.org/10.1002/PTR.2650030406 https://doi.org/10.1248/CPB.35.2880 |
Pentadecanoic acid
|
13849 |
Click to see
CCCCCCCCCCCCCCC(=O)O
|
242.40 |
unknown |
https://doi.org/10.1002/PTR.2650030406 |
Stearic Acid
|
5281 |
Click to see
CCCCCCCCCCCCCCCCCC(=O)O
|
284.50 |
unknown |
https://doi.org/10.1002/PTR.2650030406 |
> Lipids and lipid-like molecules / Fatty Acyls / Fatty acids and conjugates / Medium-chain fatty acids
|
Lauric Acid
|
3893 |
Click to see
CCCCCCCCCCCC(=O)O
|
200.32 |
unknown |
https://doi.org/10.1248/CPB.35.2880 https://doi.org/10.1002/PTR.2650030406 |
> Organic acids and derivatives / Carboxylic acids and derivatives / Amino acids, peptides, and analogues / Alpha amino acids and derivatives / Valine and derivatives
|
Valine
|
6287 |
Click to see
CC(C)C(C(=O)O)N
|
117.15 |
unknown |
https://doi.org/10.1016/0305-1978(86)90092-X |
> Organoheterocyclic compounds / Benzimidazoles / Sulfinylbenzimidazoles
|
2-[methyl-[2-[(R)-[3-methyl-4-(2,2,2-trifluoroethoxy)pyridin-2-yl]methylsulfinyl]benzimidazole-1-carbonyl]amino]ethyl 1-methylpiperidine-4-carboxylate
|
59769497 |
Click to see
CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2C(=O)N(C)CCOC(=O)C4CCN(CC4)C)OCC(F)(F)F
|
595.60 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00016-8 |
> Organoheterocyclic compounds / Piperidines / Piperidinecarboxylic acids and derivatives / Piperidinecarboxylic acids
|
1-methylpiperidine-3-carboxylic Acid
|
2736937 |
Click to see
CN1CCCC(C1)C(=O)O
|
143.18 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00016-8 |
ethyl (3S)-1-methylpiperidine-3-carboxylate
|
736035 |
Click to see
CCOC(=O)C1CCCN(C1)C
|
171.24 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00016-8 |
Ethyl 1-methylpiperidine-3-carboxylate
|
97981 |
Click to see
CCOC(=O)C1CCCN(C1)C
|
171.24 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00016-8 |
methyl (3S)-1-methylpiperidine-3-carboxylate
|
641103 |
Click to see
CN1CCCC(C1)C(=O)OC
|
157.21 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00016-8 |
Methyl 1-methylpiperidine-3-carboxylate
|
15535 |
Click to see
CN1CCCC(C1)C(=O)OC
|
157.21 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00016-8 |
> Organoheterocyclic compounds / Pyridines and derivatives / Pyridinecarboxylic acids and derivatives / Pyridinecarboxylic acids
|
Ethyl nicotinate
|
69188 |
Click to see
CCOC(=O)C1=CN=CC=C1
|
151.16 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00016-8 |
Methyl nicotinate
|
7151 |
Click to see
COC(=O)C1=CN=CC=C1
|
137.14 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00016-8 |
Nicotinic acid
|
938 |
Click to see
C1=CC(=CN=C1)C(=O)O
|
123.11 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00016-8 |
> Organoheterocyclic compounds / Pyridines and derivatives / Pyrrolidinylpyridines
|
3-(1-Methylpyrrolidin-2-yl)pyridine
|
942 |
Click to see
CN1CCCC1C2=CN=CC=C2
|
162.23 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00016-8 |
Nicotine
|
89594 |
Click to see
CN1CCCC1C2=CN=CC=C2
|
162.23 |
unknown |
https://doi.org/10.1016/S0031-9422(98)00016-8 |
> Phenylpropanoids and polyketides / Flavonoids / Biflavonoids and polyflavonoids
|
(2R,2'R,3R,3'R)-2,2'-Bis(3,4-dihydroxyphenyl)-3,3',4,4'-tetrahydro-2H,2'H-4,8'-bichromene-3,3',5,5',7,7'-hexol
|
5320711 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
578.50 |
unknown |
https://doi.org/10.1002/JCCS.199600013 |
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
21676345 |
Click to see
C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=C(C(=CC(=C56)O)O)C7C(C(OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1155.00 |
unknown |
https://doi.org/10.1039/C39810000781 |
(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-4-[(2R,3R,4S)-2-(3,4-dihydroxyphenyl)-4-[(2R,3S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[(2R,3R,4R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
16142155 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C(C(=CC(=C56)O)O)C7C(C(OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1155.00 |
unknown |
https://doi.org/10.1039/C39810000781 |
2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
162964962 |
Click to see
C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=C(C(=CC(=C56)O)O)C7C(C(OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)C1=CC(=C(C=C1)O)O)O)C1=CC(=C(C=C1)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1155.00 |
unknown |
https://doi.org/10.1039/C39810000781 |
2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
16163749 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C3C(=CC(=C4C5C(C(OC6=C(C(=CC(=C56)O)O)C7C(C(OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)O)C1=CC(=C(C=C1)O)O)O
|
1155.00 |
unknown |
https://doi.org/10.1039/C39810000781 |
2-(3,4-dihydroxyphenyl)-8-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-4-[2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-6-yl]-3,4-dihydro-2H-chromene-3,5,7-triol
|
14237654 |
Click to see
C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O
|
866.80 |
unknown |
https://doi.org/10.1039/C39810000781 |
Arecatannin A1
|
13752000 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
|
866.80 |
unknown |
https://doi.org/10.1039/C39810000781 |
Arecatannin B1
|
14237657 |
Click to see
C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)C9=CC(=C(C=C9)O)O)O
|
866.80 |
unknown |
https://doi.org/10.1039/C39810000781 |
Endotelon
|
130556 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
578.50 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3821912/ https://doi.org/10.1039/C39810000781 |
ent-Epicatechin-(4alpha->6)-ent-epicatechin
|
13990892 |
Click to see
C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
578.50 |
unknown |
https://doi.org/10.1039/C39810000781 |
Procyanidin B1
|
11250133 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
578.50 |
unknown |
https://doi.org/10.1039/C39810000781 |
Procyanidin B2, (+)-
|
122738 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
578.50 |
unknown |
https://doi.org/10.1002/JCCS.199600013 https://doi.org/10.1039/C39810000781 |
Procyanidin B4
|
147299 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
578.50 |
unknown |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3821912/ |
Procyanidin B7
|
13990893 |
Click to see
C1C(C(OC2=C1C(=C(C(=C2)O)C3C(C(OC4=CC(=CC(=C34)O)O)C5=CC(=C(C=C5)O)O)O)O)C6=CC(=C(C=C6)O)O)O
|
578.50 |
unknown |
https://doi.org/10.1039/C39810000781 |
Procyanidin C1
|
169853 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
|
866.80 |
unknown |
https://doi.org/10.1016/S0031-9422(00)83018-6 |
Procyanidin trimer T2
|
13751990 |
Click to see
C1C(C(OC2=C1C(=CC(=C2C3C(C(OC4=C(C(=CC(=C34)O)O)C5C(C(OC6=CC(=CC(=C56)O)O)C7=CC(=C(C=C7)O)O)O)C8=CC(=C(C=C8)O)O)O)O)O)C9=CC(=C(C=C9)O)O)O
|
866.80 |
unknown |
https://doi.org/10.1039/C39810000781 |
> Phenylpropanoids and polyketides / Flavonoids / Flavans / Catechins
|
2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol
|
1203 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.1039/C39810000781 https://doi.org/10.1271/BBB1924.8.149 |
Cianidanol
|
9064 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.1021/JF950611O https://doi.org/10.1002/JCCS.199600013 https://doi.org/10.1271/BBB1924.8.149 https://doi.org/10.1039/C39810000781 https://doi.org/10.1002/PTR.2650030406 |
Epicatechin
|
72276 |
Click to see
C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O
|
290.27 |
unknown |
https://doi.org/10.1002/PTR.2650030406 https://doi.org/10.1002/JCCS.199600013 https://doi.org/10.1039/C39810000781 https://doi.org/10.1021/JF950611O |